SCHEMBL10113746

SCHEMBL10113746

COC(=O)CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PTPRC P08575 3/20 0.47
PTPN13 Q12923 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
HDAC8 Q9BY41 3/20 0.46
KDM1A O60341 1/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10113753 0.89 KDM1A (0.50) ALDH1A1LMNAHDAC8KDM1AHDAC6
SCHEMBL10112836 0.87 NPC1 (0.57) ALDH1A1LMNAHDAC8HDAC6HDAC3
SCHEMBL11935068 0.86 GRIA1 (0.44) EPHX2ALDH1A1MAPT
SCHEMBL10112991 0.86 NPC1 (0.56) ALDH1A1LMNAHDAC8HDAC6HDAC3
SCHEMBL10113003 0.86 NPC1 (0.56) ALDH1A1LMNAHDAC8HDAC6HDAC3
SCHEMBL10115350 0.86 HDAC6 (0.51) ALDH1A1LMNAHDAC8HDAC6HDAC3
SCHEMBL10115264 0.85 HDAC6 (0.62) ALDH1A1LMNAHDAC8HDAC6HDAC3
SCHEMBL10113485 0.84 EPHX2 (0.47) EPHX2PTPRCPTPN13ALDH1A1LMNA
SCHEMBL10133320 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHDAC8KDM1AHDAC6
SCHEMBL10112985 0.84 NPC1 (0.59) ALDH1A1HDAC8KDM1AHDAC6HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R EPHX2 2158/4885PTPRC 419/4885PTPN13 282/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885PTPRC 501/4885PTPN13 307/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885PTPRC 440/4885PTPN13 302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.